smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1c(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1OC	ZINC000036740563	519004142	/nfs/dbraw/zinc/00/41/42/519004142.db2.gz	GCVKXFGWSXTLKQ-UHFFFAOYSA-N	2	2	423.601	4.966	40	30		HJEBLP
C=CCOc1c(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1OC	ZINC000036740563	519004149	/nfs/dbraw/zinc/00/41/49/519004149.db2.gz	GCVKXFGWSXTLKQ-UHFFFAOYSA-N	2	2	423.601	4.966	40	30		HJEBLP
CCCCCC[NH+](CCC#N)CCOCCOCC[N@H+](CCC#N)CCCCCC	ZINC000055107254	520074942	/nfs/dbraw/zinc/07/49/42/520074942.db2.gz	JAOCIEFQIDYENQ-UHFFFAOYSA-N	2	2	422.658	4.612	40	30		HJEBLP
CCCCCC[NH+](CCC#N)CCOCCOCC[N@@H+](CCC#N)CCCCCC	ZINC000055107254	520074943	/nfs/dbraw/zinc/07/49/43/520074943.db2.gz	JAOCIEFQIDYENQ-UHFFFAOYSA-N	2	2	422.658	4.612	40	30		HJEBLP
C[NH+](C)Cc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1O	ZINC000006437181	557702315	/nfs/dbraw/zinc/70/23/15/557702315.db2.gz	UASUITUPEOOXOJ-VMPITWQZSA-N	2	2	407.341	4.718	40	30		HJEBLP
C[NH+](C)Cc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1O	ZINC000005843065	557677187	/nfs/dbraw/zinc/67/71/87/557677187.db2.gz	UASUITUPEOOXOJ-YVMONPNESA-N	2	2	407.341	4.718	40	30		HJEBLP
COc1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(OC)c(OC)c2)cc1OC	ZINC000017991129	558829315	/nfs/dbraw/zinc/82/93/15/558829315.db2.gz	OUENWPHFDAFGST-RPCRKUJJSA-N	2	2	412.530	4.819	40	30		HJEBLP
CCOc1cc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(O)c(OCC)c2)ccc1O	ZINC000018176255	558832674	/nfs/dbraw/zinc/83/26/74/558832674.db2.gz	CHPYMHLONHSONW-RPCRKUJJSA-N	2	2	412.530	4.994	40	30		HJEBLP
C=CCOc1c(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1OC	ZINC000036740520	519003822	/nfs/dbraw/zinc/00/38/22/519003822.db2.gz	XBOWRUSMVULYHM-UHFFFAOYSA-N	2	2	423.601	4.966	40	30		HJEBLP
C=CCOc1c(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cccc1OC	ZINC000036740520	519003829	/nfs/dbraw/zinc/00/38/29/519003829.db2.gz	XBOWRUSMVULYHM-UHFFFAOYSA-N	2	2	423.601	4.966	40	30		HJEBLP
COc1cccc(/C=[NH+]/CCCCCC/[NH+]=C/c2cccc(OC)c2OC)c1OC	ZINC000018066782	558830448	/nfs/dbraw/zinc/83/04/48/558830448.db2.gz	SRVKBWLWOPVOCC-RPCRKUJJSA-N	2	2	412.530	4.819	40	30		HJEBLP
COc1ccc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc(OC)c(OC)c2)cc1OC	ZINC000104063637	559157613	/nfs/dbraw/zinc/15/76/13/559157613.db2.gz	OUENWPHFDAFGST-MFYXSQMNSA-N	2	2	412.530	4.819	40	30		HJEBLP
CCOc1cc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(O)c(OCC)c2)ccc1O	ZINC000104063699	559157610	/nfs/dbraw/zinc/15/76/10/559157610.db2.gz	CHPYMHLONHSONW-WTHRLWDASA-N	2	2	412.530	4.994	40	30		HJEBLP
Oc1ccccc1/C=[NH+]/CC[C@H](S)CC[C@H](S)CC/[NH+]=C/c1ccccc1O	ZINC000104373716	559160758	/nfs/dbraw/zinc/16/07/58/559160758.db2.gz	IXZLLZFKFPNVAK-GTWDFLEGSA-N	2	2	416.612	4.793	40	30		HJEBLP
COc1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(OC)c(OC)c2)cc1OC	ZINC000104063641	559157622	/nfs/dbraw/zinc/15/76/22/559157622.db2.gz	OUENWPHFDAFGST-WTHRLWDASA-N	2	2	412.530	4.819	40	30		HJEBLP
Oc1ccccc1/C=[NH+]\CC[C@H](S)CC[C@H](S)CC/[NH+]=C\c1ccccc1O	ZINC000104373712	559160740	/nfs/dbraw/zinc/16/07/40/559160740.db2.gz	IXZLLZFKFPNVAK-IUBUZBQZSA-N	2	2	416.612	4.793	40	30		HJEBLP
CCOc1cc(/C=[NH+]\CCCCCC/[NH+]=C\c2ccc(O)c(OCC)c2)ccc1O	ZINC000104063697	559157619	/nfs/dbraw/zinc/15/76/19/559157619.db2.gz	CHPYMHLONHSONW-MFYXSQMNSA-N	2	2	412.530	4.994	40	30		HJEBLP